(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride

C21H44ClN — CID 24774422

IUPAC(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
SMILESCCCCCCCCCCCCCCC[C@@H]1CCC[C@H](C)N1.Cl
InChIInChI=1S/C21H43N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)22-21;/h20-22H,3-19H2,1-2H3;1H/t20-,21+;/m0./s1
InChIKeyNWCAQAGISQSUGZ-JUDYQFGCSA-N
MW346.04 g/mol
LogP7.42
Rot. Bonds14

About (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride

(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride (PubChem CID 24774422) has the molecular formula C21H44ClN and a molecular weight of 346.04 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
PubChem CID24774422
Molecular FormulaC21H44ClN
Molecular Weight346.04 g/mol
Exact Mass345.32
IUPAC Name(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
SMILESCCCCCCCCCCCCCCC[C@@H]1CCC[C@H](C)N1.Cl
InChIInChI=1S/C21H43N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)22-21;/h20-22H,3-19H2,1-2H3;1H/t20-,21+;/m0./s1
InChIKeyNWCAQAGISQSUGZ-JUDYQFGCSA-N
XLogP7.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
CID 131877830
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
CID 87495600
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
CID 67498965

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride?
The IUPAC name of (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride (CID 24774422) is (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride.
What is the SMILES notation for (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride?
The canonical SMILES for (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride is CCCCCCCCCCCCCCC[C@@H]1CCC[C@H](C)N1.Cl.
What is the InChIKey of (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride?
The InChIKey is NWCAQAGISQSUGZ-JUDYQFGCSA-N. The full InChI is InChI=1S/C21H43N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)22-21;/h20-22H,3-19H2,1-2H3;1H/t20-,21+;/m0./s1.
What are the key properties of (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride?
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride has a molecular weight of 346.04 g/mol, XLogP of 7.42, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride is sourced from PubChem (CID 24774422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).